3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide

C18H14BrNO5S2 — CID 56688809

IUPAC3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(O)c1)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H14BrNO5S2/c19-13-7-9-16(10-8-13)26(22,23)17-5-2-6-18(12-17)27(24,25)20-14-3-1-4-15(21)11-14/h1-12,20-21H
InChIKeyOFIFMCALMIZQED-UHFFFAOYSA-N
MW468.35 g/mol
LogP3.79
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide

3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 56688809) has the molecular formula C18H14BrNO5S2 and a molecular weight of 468.35 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID56688809
Molecular FormulaC18H14BrNO5S2
Molecular Weight468.35 g/mol
Exact Mass466.95
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(O)c1)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H14BrNO5S2/c19-13-7-9-16(10-8-13)26(22,23)17-5-2-6-18(12-17)27(24,25)20-14-3-1-4-15(21)11-14/h1-12,20-21H
InChIKeyOFIFMCALMIZQED-UHFFFAOYSA-N
XLogP3.79
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
CID 1310237
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
CID 10075434
N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
CID 4254070
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911
4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
CID 25035947
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 116527650
2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61167481
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
2-hydroxy-5-[(3-hydroxyphenyl)sulfamoyl]benzamide
CID 130406151
3-(4-bromophenyl)sulfonyl-N-cyclohexylbenzenesulfonamide
CID 1356174

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide (CID 56688809) is 3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(O)c1)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is OFIFMCALMIZQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO5S2/c19-13-7-9-16(10-8-13)26(22,23)17-5-2-6-18(12-17)27(24,25)20-14-3-1-4-15(21)11-14/h1-12,20-21H.
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide?
3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 468.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 56688809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).